ChemSpider 2D Image | 5-{[6-{(2-Chlorophenyl)[2-(4-methyl-1-piperazinyl)ethyl]amino}-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}-2-methyl-1H-isoindole-1,3(2H)-dione | C30H36ClN7O2

5-{[6-{(2-Chlorophenyl)[2-(4-methyl-1-piperazinyl)ethyl]amino}-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}-2-methyl-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID121469605

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Isoindole-1,3(2H)-dione, 5-[[6-[(2-chlorophenyl)[2-(4-methyl-1-piperazinyl)ethyl]amino]-2-(1,1-dimethylethyl)-4-pyrimidinyl]amino]-2-methyl- [ACD/Index Name]
5-{[6-{(2-Chlorophenyl)[2-(4-methyl-1-piperazinyl)ethyl]amino}-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}-2-methyl-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
5-{[6-{(2-Chlorophényl)[2-(4-méthyl-1-pipérazinyl)éthyl]amino}-2-(2-méthyl-2-propanyl)-4-pyrimidinyl]amino}-2-méthyl-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
5-{[6-{(2-Chlorphenyl)[2-(4-methyl-1-piperazinyl)ethyl]amino}-2-(2-methyl-2-propanyl)-4-pyrimidinyl]amino}-2-methyl-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 7.19
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 460.76
ACD/KOC (pH 7.4): 2076.19
Polar Surface Area: 85 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 439.4±3.0 cm3

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